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Chemical ID: 6847120
Chemical ID:
6847120
Name [?]:
methyl 2-[2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxyacetyl]aminobenzoate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4ccccc4C(=O)OC)C
InChi [?]:
InChI=1/C29H27NO8/c1-16-12-17(2)26-20(13-16)25(32)28(27(38-26)18-10-11-22(34-3)23(14-18)35-4)37-15-24(31)30-21-9-7-6-8-19(21)29(33)36-5/h6-14H,15H2,1-5H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,38,22,20,37,31,30,32,29,14,15,3,7,18,24,2,4,13,33,6,28,16,17,25,8,5,11,10,34,27,26,9,35,21,19,36,23,12/rA:38nCCCCCCCCOCCOCCCCCCOCOCOCCONCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;d34;s34;s36;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27NO8 |
All Atoms: | 65 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4055 |
Area: | 756.332 |
Solvation: | -8.5028 |
Coulombic: | -80.2386 |
Bond Count [?]
All: | 41 |
Single: | 28 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 517.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.2 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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